N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

C10H15N3O2S2 — CID 71804822

IUPACN-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCOC1(CNC(=O)c2snnc2C)CCSC1
InChIInChI=1S/C10H15N3O2S2/c1-7-8(17-13-12-7)9(14)11-5-10(15-2)3-4-16-6-10/h3-6H2,1-2H3,(H,11,14)
InChIKeyFRZYEKXCMNNXCK-UHFFFAOYSA-N
MW273.38 g/mol
LogP1.10
Rot. Bonds4

About N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide

N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (PubChem CID 71804822) has the molecular formula C10H15N3O2S2 and a molecular weight of 273.38 g/mol. Its IUPAC name is N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.

Molecular Properties

Compound NameN-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
PubChem CID71804822
Molecular FormulaC10H15N3O2S2
Molecular Weight273.38 g/mol
Exact Mass273.06
IUPAC NameN-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide
SMILESCOC1(CNC(=O)c2snnc2C)CCSC1
InChIInChI=1S/C10H15N3O2S2/c1-7-8(17-13-12-7)9(14)11-5-10(15-2)3-4-16-6-10/h3-6H2,1-2H3,(H,11,14)
InChIKeyFRZYEKXCMNNXCK-UHFFFAOYSA-N
XLogP1.10
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The IUPAC name of N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide (CID 71804822) is N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide.
What is the SMILES notation for N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The canonical SMILES for N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is COC1(CNC(=O)c2snnc2C)CCSC1.
What is the InChIKey of N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
The InChIKey is FRZYEKXCMNNXCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2S2/c1-7-8(17-13-12-7)9(14)11-5-10(15-2)3-4-16-6-10/h3-6H2,1-2H3,(H,11,14).
What are the key properties of N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide?
N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide has a molecular weight of 273.38 g/mol, XLogP of 1.10, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-methoxythiolan-3-yl)methyl]-4-methylthiadiazole-5-carboxamide is sourced from PubChem (CID 71804822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).